Gaussian 09 GINC-KIMIK2023 CBGUSER 000264438 EM64L-G09RevD.01 26-Feb-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 328.2775999999998 0 1 AuxInfo=1/0/N:27,26,25,24,20,22,21,18,12,14,23,9,19,13,16,7,2,17,15,4,8,6,3,11,5,10,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.1/rA:49O1CC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;;s4s6;s6;s4;s1s5;s10;s3;s8s9;s5;;s11s15;s15;s6;s11;s12;s8;s14s20;s17s19;s18;s21s24;s15;s17;s2;s2;s7;s9;s12;s13;s14;s16;s19;s18;s20;s22;s21;s23;s24;s25;s26;s26;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-26504.inp" -scrdir="/scratch/" chk=000264438.chk nprocshared=4 mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000264438 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 2 2 2 2 3 3 4 4 5 5 6 6 6 7 8 8 9 9 10 11 11 12 12 13 14 14 15 15 15 16 17 17 18 18 19 19 20 20 21 21 22 23 24 24 25 26 26 26 27 27 27 10 3 4 28 29 5 12 7 9 10 14 7 8 18 30 13 21 13 31 11 16 19 20 32 33 22 34 16 17 26 35 23 27 24 37 23 36 22 38 25 40 39 41 25 42 43 44 45 46 47 48 49 1.2155 1.5055 1.506 1.1188 1.1104 1.407 1.4051 1.3759 1.4314 1.4987 1.4027 1.4297 1.4191 1.432 1.0921 1.4316 1.4308 1.3708 1.0885 1.4928 1.4014 1.4011 1.3955 1.0885 1.0891 1.3953 1.0914 1.3999 1.4146 1.4948 1.0923 1.4029 1.494 1.3722 1.0895 1.3952 1.092 1.3996 1.0898 1.3725 1.0885 1.0879 1.0888 1.426 1.0886 1.0883 1.0988 1.0983 1.0999 1.0978 1.0997 1.1001 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 3 3 3 4 4 28 2 2 5 2 2 7 3 3 10 7 7 8 4 4 6 6 6 13 4 4 13 1 1 5 10 10 16 3 3 20 8 8 9 5 5 22 16 16 17 11 11 15 15 15 23 6 6 24 11 11 23 12 12 22 8 8 25 14 14 20 17 17 19 18 18 25 21 21 24 15 15 15 44 44 45 17 17 17 47 47 48 2 2 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 4 28 29 28 29 29 5 12 12 7 9 9 10 14 14 8 18 18 6 30 30 13 21 21 13 31 31 5 11 11 16 19 19 20 32 32 9 33 33 22 34 34 17 26 26 15 35 35 23 27 27 24 37 37 23 36 36 22 38 38 25 40 40 20 39 39 19 41 41 25 42 42 24 43 43 44 45 46 45 46 46 47 48 49 48 49 49 111.0681 109.4485 111.1051 110.7892 110.031 104.1992 121.2144 119.6332 119.1513 121.0048 118.962 120.0332 121.2422 120.0571 118.6851 119.3852 121.4956 119.1192 120.5222 120.8725 118.6052 118.9941 119.2599 121.7461 120.441 118.6978 120.8607 121.6866 121.4556 116.8544 121.0552 119.0056 119.915 120.46 119.7858 119.7536 120.6237 118.5892 120.7872 120.3731 119.659 119.9678 119.4573 119.6258 120.9164 120.5626 119.5708 119.8623 119.5367 120.7713 119.6916 120.3999 118.5577 121.0424 119.8547 119.6298 120.5147 120.2532 119.8712 119.8756 120.4019 118.675 120.9231 119.7016 120.1366 120.1618 120.6651 119.8481 119.4856 120.4501 120.8601 118.6898 120.3687 120.9265 118.7048 111.4869 112.579 111.1279 107.0938 107.5045 106.7613 112.7927 111.3001 111.1746 107.0655 107.0222 107.1876 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 4 4 28 28 29 29 3 3 28 28 29 29 2 2 12 12 2 2 5 5 2 2 9 9 2 2 7 7 3 3 14 14 3 3 10 10 8 8 18 18 7 7 18 18 7 7 8 8 6 6 21 21 6 6 13 13 4 4 31 31 1 1 5 5 10 10 19 19 10 10 16 16 3 3 32 32 5 5 34 34 17 17 26 26 16 16 26 26 16 16 16 17 17 17 15 15 27 27 15 15 15 23 23 23 6 6 37 37 11 11 36 36 12 12 38 38 8 8 40 40 18 18 42 42 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 17 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 24 24 24 24 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 12 12 12 12 7 7 7 7 9 9 9 9 10 10 10 10 14 14 14 14 7 7 7 7 8 8 8 8 18 18 18 18 13 13 13 13 21 21 21 21 13 13 13 13 11 11 11 11 16 16 16 16 19 19 19 19 20 20 20 20 22 22 22 22 16 16 16 16 17 17 17 17 26 26 26 26 26 26 23 23 23 23 27 27 27 27 27 27 24 24 24 24 23 23 23 23 22 22 22 22 25 25 25 25 25 25 25 25 5 12 5 12 5 12 7 9 7 9 7 9 10 14 10 14 20 32 20 32 6 30 6 30 13 31 13 31 1 11 1 11 22 34 22 34 4 30 4 30 13 21 13 21 24 37 24 37 9 33 9 33 25 40 25 40 8 33 8 33 16 19 16 19 15 35 15 35 23 36 23 36 22 38 22 38 20 39 20 39 11 35 11 35 23 27 23 27 44 45 46 44 45 46 19 41 19 41 47 48 49 47 48 49 25 42 25 42 17 41 17 41 14 39 14 39 24 43 24 43 21 43 21 43 79.3463 -100.256 -43.2965 137.1012 -157.824 22.5737 -103.9929 75.9541 17.8715 -162.1815 132.56 -47.493 1.4831 -179.9762 -178.9128 -0.3721 -179.7261 -0.0079 0.6634 -179.6184 -179.9276 0.1846 0.1259 -179.7618 179.784 -0.4629 -0.2685 179.4846 51.8149 -128.8394 -126.7454 52.6003 -0.1951 179.9301 178.3827 -1.492 0.1212 -179.9885 -179.8457 0.0446 -0.2289 179.8061 179.7388 -0.2262 -179.8525 0.2458 0.1805 -179.7212 0.0903 -179.9069 -179.9456 0.0572 0.1138 -179.8015 -179.8502 0.2345 0.1575 -179.8454 -179.5902 0.4069 -147.2825 30.9263 33.3702 -148.4211 178.6018 -0.6428 0.4092 -178.8355 -179.2584 0.4181 -1.0288 178.6477 -0.3885 179.5854 179.8932 -0.1329 0.4754 -179.5549 -179.6502 0.3194 0.3592 179.6016 -179.387 -0.1446 -0.5077 179.71 179.2352 -0.5472 -121.5138 -1.1291 118.575 58.7437 179.1285 -61.1674 -0.1116 -179.6963 179.6731 0.0884 -179.8907 -59.5264 59.8903 0.3273 120.6916 -119.8917 -0.0186 179.9268 179.8807 -0.174 0.8819 -179.5318 -178.7917 0.7946 -0.1847 179.8457 179.8414 -0.1283 0.0492 -179.8895 179.9625 0.0238 -0.0981 179.8419 179.9553 -0.1046 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 273 294 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 21321 NPrTT= 109444 LenC2= 18709 LenP2D= 58131. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 314 RedAO= T EigKep= 4.18D-04 NBF= 314 NBsUse= 314 1.00D-06 EigRej= -1.00D+00 NBFU= 314 Using GEDIIS/GDIIS optimizer. local minimum Step number 10 out of a maximum of 273 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00232 0.00608 0.00811 0.00843 0.00862 0.01354 0.01497 0.01514 0.01544 0.01608 0.01707 0.01716 0.01728 0.01797 0.01880 0.01905 0.01937 0.01942 0.01974 0.02002 0.02011 0.02061 0.02069 0.02074 0.02082 0.02089 0.02096 0.02098 0.02103 0.02111 0.02114 0.02121 0.02127 0.02151 0.02163 0.02179 0.02207 0.02272 0.02604 0.04334 0.05277 0.06120 0.07164 0.07172 0.07197 0.07220 0.10025 0.13247 0.15275 0.15871 0.15982 0.15998 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16003 0.16004 0.16011 0.16024 0.16042 0.16066 0.20170 0.21992 0.22000 0.22291 0.22378 0.22480 0.22670 0.23365 0.23586 0.23862 0.24047 0.24402 0.24590 0.24639 0.24754 0.24952 0.25007 0.25078 0.25802 0.27707 0.30509 0.31669 0.31899 0.32183 0.32559 0.32973 0.33306 0.33618 0.33681 0.33701 0.33777 0.33851 0.33909 0.34158 0.34496 0.34590 0.34623 0.34681 0.34845 0.34883 0.34929 0.34953 0.34974 0.34981 0.34989 0.35005 0.35032 0.35079 0.35444 0.36979 0.38643 0.39051 0.39636 0.40333 0.40943 0.41066 0.41538 0.41829 0.41869 0.43225 0.44269 0.45257 0.45627 0.45655 0.45813 0.46126 0.46460 0.48275 0.48498 0.48603 0.49849 0.50738 0.84254 RFO step: Lambda=-2.19078375D-08. 1 2 0.00093954 0.00000028 0.00000010 0.00000003 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 2.40605 2.89109 2.89175 2.08312 2.09195 2.70460 2.67505 2.64378 2.71792 2.85483 2.68402 2.71112 2.73772 2.71082 2.07258 2.71151 2.70958 2.63464 2.07283 2.83219 2.68431 2.68162 2.67184 2.07285 2.07315 2.66731 2.07020 2.67144 2.70192 2.86855 2.07044 2.68313 2.86585 2.64041 2.07229 2.65680 2.06899 2.66770 2.07080 2.64058 2.07298 2.06988 2.07205 2.70606 2.07063 2.07073 2.09207 2.08421 2.09206 2.08402 2.09253 2.09224 1.97402 1.91075 1.88635 1.90784 1.90335 1.87911 2.13306 2.08445 2.06498 2.11877 2.09096 2.07344 2.12650 2.08778 2.06494 2.08050 2.12869 2.07400 2.12081 2.08699 2.07528 2.06811 2.07973 2.13534 2.11418 2.07576 2.09325 2.09678 2.09703 2.08892 2.13873 2.06940 2.07361 2.12544 2.07168 2.08604 2.10928 2.07461 2.09929 2.11533 2.07886 2.08868 2.07836 2.09812 2.10668 2.12393 2.08127 2.07746 2.07716 2.10831 2.09769 2.10850 2.07380 2.10088 2.09347 2.06949 2.12022 2.08935 2.09431 2.09952 2.10716 2.07533 2.10069 2.08338 2.09628 2.10352 2.11967 2.07492 2.08858 2.09970 2.09720 2.08629 2.09726 2.09874 2.08719 1.94914 1.94114 1.94575 1.88245 1.86216 1.87944 1.94214 1.94746 1.94517 1.88306 1.88311 1.85919 1.19627 -1.90456 -0.93577 2.24658 -2.97788 0.20447 -2.04027 1.10825 0.09340 -3.04126 2.14355 -0.99112 0.13563 -3.10318 -3.04629 -0.00191 3.11506 -0.03474 0.01264 -3.13716 -3.13353 0.02381 0.00120 -3.12465 3.12599 -0.01537 -0.00886 3.13297 0.74766 -2.42614 -2.29794 0.81144 -0.01035 -3.12478 3.03744 -0.07699 0.00672 3.13268 -3.13598 -0.01002 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0.00000 0.00002 -0.00002 -0.00001 0.00000 0.00001 0.00001 0.00001 -0.00002 0.00000 -0.00001 0.00002 0.00001 -0.00002 0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00003 0.00001 0.00000 0.00001 0.00026 0.00027 0.00040 0.00041 0.00038 0.00039 -0.00031 -0.00038 -0.00041 -0.00048 -0.00040 -0.00047 -0.00030 -0.00013 -0.00031 -0.00013 0.00009 0.00003 0.00010 0.00004 0.00002 0.00016 0.00010 0.00023 0.00003 0.00002 -0.00004 -0.00005 0.00041 0.00037 0.00023 0.00019 0.00009 0.00016 0.00025 0.00032 -0.00006 -0.00019 -0.00004 -0.00017 -0.00004 0.00002 -0.00006 0.00000 -0.00004 -0.00001 -0.00002 0.00001 0.00010 0.00004 0.00003 -0.00002 0.00000 0.00001 0.00007 0.00007 -0.00006 0.00000 -0.00005 0.00000 0.00006 0.00021 0.00010 0.00025 0.00008 0.00006 -0.00007 -0.00009 -0.00005 -0.00011 0.00010 0.00003 -0.00001 0.00006 0.00005 0.00012 0.00000 0.00007 -0.00007 0.00000 -0.00001 0.00001 -0.00006 -0.00004 0.00006 0.00002 0.00011 0.00007 -0.00040 -0.00039 -0.00039 -0.00045 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-0.00002 0.00002 -0.00001 -0.00002 -0.00002 0.00005 -0.00003 0.00001 -0.00003 0.00002 0.00002 0.00002 -0.00003 -0.00003 0.00000 0.00002 -0.00001 0.00002 -0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00002 0.00003 0.00000 0.00003 -0.00003 -0.00001 -0.00001 0.00002 0.00002 -0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00001 -0.00003 0.00002 -0.00002 0.00003 -0.00002 -0.00001 -0.00004 0.00004 0.00003 0.00001 0.00055 0.00042 0.00073 0.00060 0.00068 0.00055 -0.00067 -0.00066 -0.00079 -0.00078 -0.00076 -0.00075 -0.00052 -0.00041 -0.00038 -0.00028 0.00029 0.00020 0.00016 0.00007 0.00009 0.00016 0.00009 0.00015 -0.00003 -0.00001 -0.00002 -0.00001 0.00027 0.00021 0.00017 0.00011 0.00021 0.00027 0.00030 0.00037 -0.00008 -0.00015 -0.00006 -0.00013 0.00001 0.00005 -0.00001 0.00003 -0.00004 -0.00005 -0.00002 -0.00003 0.00006 0.00004 0.00002 0.00000 -0.00002 -0.00004 0.00002 0.00000 -0.00006 -0.00004 -0.00007 -0.00005 -0.00003 0.00006 0.00003 0.00012 0.00006 0.00005 -0.00003 -0.00004 -0.00004 -0.00008 0.00005 0.00001 0.00005 0.00006 0.00013 0.00015 0.00000 0.00010 -0.00007 0.00004 -0.00002 0.00000 -0.00003 -0.00002 0.00003 0.00003 0.00005 0.00005 -0.00055 -0.00052 -0.00051 -0.00057 -0.00054 -0.00053 -0.00001 -0.00001 0.00000 0.00000 0.00035 0.00038 0.00036 0.00034 0.00038 0.00035 0.00001 -0.00002 0.00001 -0.00001 -0.00003 -0.00003 0.00001 0.00001 -0.00013 -0.00023 -0.00014 -0.00025 0.00000 -0.00001 0.00003 0.00001 0.00000 0.00002 0.00003 0.00004 2.40604 2.89103 2.89175 2.08312 2.09196 2.70454 2.67508 2.64381 2.71788 2.85487 2.68404 2.71110 2.73777 2.71080 2.07259 2.71150 2.70956 2.63465 2.07283 2.83226 2.68430 2.68163 2.67183 2.07286 2.07315 2.66734 2.07018 2.67144 2.70194 2.86858 2.07044 2.68312 2.86587 2.64043 2.07229 2.65681 2.06898 2.66771 2.07080 2.64060 2.07298 2.06988 2.07205 2.70605 2.07063 2.07073 2.09207 2.08420 2.09207 2.08400 2.09252 2.09224 1.97416 1.91069 1.88632 1.90767 1.90340 1.87920 2.13307 2.08450 2.06493 2.11857 2.09117 2.07343 2.12645 2.08783 2.06494 2.08046 2.12872 2.07401 2.12084 2.08694 2.07530 2.06811 2.07972 2.13535 2.11417 2.07578 2.09323 2.09684 2.09704 2.08885 2.13883 2.06934 2.07358 2.12548 2.07167 2.08601 2.10931 2.07461 2.09927 2.11531 2.07891 2.08864 2.07837 2.09809 2.10670 2.12395 2.08129 2.07742 2.07714 2.10831 2.09771 2.10850 2.07382 2.10086 2.09348 2.06949 2.12021 2.08934 2.09430 2.09955 2.10716 2.07537 2.10066 2.08337 2.09627 2.10354 2.11969 2.07491 2.08858 2.09970 2.09718 2.08630 2.09727 2.09871 2.08720 1.94915 1.94112 1.94572 1.88247 1.86214 1.87947 1.94212 1.94745 1.94512 1.88310 1.88314 1.85920 1.19682 -1.90415 -0.93504 2.24718 -2.97720 0.20502 -2.04094 1.10759 0.09261 -3.04205 2.14279 -0.99186 0.13511 -3.10360 -3.04667 -0.00220 3.11534 -0.03453 0.01279 -3.13708 -3.13343 0.02397 0.00129 -3.12449 3.12596 -0.01539 -0.00887 3.13297 0.74794 -2.42593 -2.29777 0.81155 -0.01014 -3.12451 3.03775 -0.07662 0.00664 3.13253 -3.13604 -0.01016 -0.00717 3.13568 3.13548 -0.00485 -3.13682 0.00756 0.00369 -3.13512 -0.00016 3.14032 3.14012 -0.00258 0.00253 -3.13854 -3.13775 0.00436 0.00830 -3.13216 -3.13354 0.00918 -2.75774 0.32542 0.41613 -2.78390 3.08509 -0.02129 0.00207 -3.10431 -3.10088 0.03607 -0.01551 3.12145 -0.01108 3.12908 3.13886 -0.00416 0.01200 -3.12548 3.12622 -0.01126 0.01176 3.11823 -3.12192 -0.01545 -0.01213 3.13762 3.12151 -0.01192 -2.12774 -0.02371 2.07415 1.02190 3.12592 -1.05939 -0.00119 -3.13863 3.13229 -0.00515 3.13553 -1.04330 1.03273 0.00219 2.10655 -2.10061 -0.00011 3.14141 3.13864 -0.00302 0.01522 -3.13055 -3.12159 0.01582 -0.00147 3.13600 3.14157 -0.00415 0.00107 -3.14042 -3.14105 0.00065 -0.00232 3.13917 3.13934 -0.00235 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000033 0.000006 0.004518 0.000940 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -4.806389e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 2 2 2 2 3 3 4 4 5 5 6 6 6 7 8 8 9 9 10 11 11 12 12 13 14 14 15 15 15 16 17 17 18 18 19 19 20 20 21 21 22 23 24 24 25 26 26 26 27 27 27 10 3 4 28 29 5 12 7 9 10 14 7 8 18 30 13 21 13 31 11 16 19 20 32 33 22 34 16 17 26 35 23 27 24 37 23 36 22 38 25 40 39 41 25 42 43 44 45 46 47 48 49 1.2732 1.5299 1.5302 1.1023 1.107 1.4312 1.4156 1.399 1.4383 1.5107 1.4203 1.4347 1.4487 1.4345 1.0968 1.4349 1.4338 1.3942 1.0969 1.4987 1.4205 1.4191 1.4139 1.0969 1.0971 1.4115 1.0955 1.4137 1.4298 1.518 1.0956 1.4199 1.5165 1.3972 1.0966 1.4059 1.0949 1.4117 1.0958 1.3973 1.097 1.0953 1.0965 1.432 1.0957 1.0958 1.1071 1.1029 1.1071 1.1028 1.1073 1.1072 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 3 3 3 4 4 28 2 2 5 2 2 7 3 3 10 7 7 8 4 4 6 6 6 13 4 4 13 1 1 5 10 10 16 3 3 20 8 8 9 5 5 22 16 16 17 11 11 15 15 15 23 6 6 24 11 11 23 12 12 22 8 8 25 14 14 20 17 17 19 18 18 25 21 21 24 15 15 15 44 44 45 17 17 17 47 47 48 2 2 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 4 28 29 28 29 29 5 12 12 7 9 9 10 14 14 8 18 18 6 30 30 13 21 21 13 31 31 5 11 11 16 19 19 20 32 32 9 33 33 22 34 34 17 26 26 15 35 35 23 27 27 24 37 37 23 36 36 22 38 38 25 40 40 20 39 39 19 41 41 25 42 42 24 43 43 44 45 46 45 46 46 47 48 49 48 49 49 113.1031 109.4781 108.08 109.3111 109.0538 107.6649 122.2154 119.4304 118.3144 121.3963 119.8034 118.7992 121.8396 119.6211 118.3121 119.2036 121.965 118.8313 121.5133 119.5758 118.9048 118.4939 119.16 122.3461 121.1338 118.932 119.9341 120.1367 120.1509 119.6866 122.5399 118.5681 118.8091 121.7786 118.6987 119.5211 120.8531 118.8667 120.2802 121.1996 119.1098 119.6724 119.0812 120.2134 120.7039 121.6924 119.2479 119.0295 119.0127 120.7971 120.1885 120.8084 118.8199 120.3715 119.9468 118.573 121.4797 119.711 119.9954 120.2936 120.7314 118.9079 120.3607 119.3687 120.108 120.5228 121.4483 118.8842 119.6671 120.3041 120.1605 119.5353 120.1642 120.2487 119.5871 111.6774 111.2189 111.4832 107.8564 106.694 107.6841 111.2766 111.5812 111.4498 107.8913 107.8943 106.524 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 4 4 28 28 29 29 3 3 28 28 29 29 2 2 12 12 2 2 5 5 2 2 9 9 2 2 7 7 3 3 14 14 3 3 10 10 8 8 18 18 7 7 18 18 7 7 8 8 6 6 21 21 6 6 13 13 4 4 31 31 1 1 5 5 10 10 19 19 10 10 16 16 3 3 32 32 5 5 34 34 17 17 26 26 16 16 26 26 16 16 16 17 17 17 15 15 27 27 15 15 15 23 23 23 6 6 37 37 11 11 36 36 12 12 38 38 8 8 40 40 18 18 42 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 17 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 24 24 24 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 12 12 12 12 7 7 7 7 9 9 9 9 10 10 10 10 14 14 14 14 7 7 7 7 8 8 8 8 18 18 18 18 13 13 13 13 21 21 21 21 13 13 13 13 11 11 11 11 16 16 16 16 19 19 19 19 20 20 20 20 22 22 22 22 16 16 16 16 17 17 17 17 26 26 26 26 26 26 23 23 23 23 27 27 27 27 27 27 24 24 24 24 23 23 23 23 22 22 22 22 25 25 25 25 25 25 25 5 12 5 12 5 12 7 9 7 9 7 9 10 14 10 14 20 32 20 32 6 30 6 30 13 31 13 31 1 11 1 11 22 34 22 34 4 30 4 30 13 21 13 21 24 37 24 37 9 33 9 33 25 40 25 40 8 33 8 33 16 19 16 19 15 35 15 35 23 36 23 36 22 38 22 38 20 39 20 39 11 35 11 35 23 27 23 27 44 45 46 44 45 46 19 41 19 41 47 48 49 47 48 49 25 42 25 42 17 41 17 41 14 39 14 39 24 43 24 43 21 43 21 68.5411 -109.1234 -53.616 128.7196 -170.6201 11.7154 -116.8989 63.4981 5.3515 -174.2515 122.8162 -56.7868 7.7708 -177.7992 -174.5397 -0.1097 178.4795 -1.9902 0.724 -179.7458 -179.5378 1.364 0.069 -179.0291 179.1058 -0.8807 -0.5075 179.506 42.838 -139.0075 -131.6622 46.4923 -0.593 -179.0369 174.0328 -4.4112 0.3851 179.4891 -179.6783 -0.5743 -0.4114 179.6587 179.65 -0.2799 -179.7243 0.4361 0.2126 -179.6271 -0.0128 179.9246 179.9148 -0.1479 0.1462 -179.8229 -179.7808 0.25 0.4788 -179.4577 -179.5348 0.5287 -158.0051 18.6413 23.8407 -159.5129 176.7591 -1.2229 0.1205 -177.8616 -177.6652 2.0713 -0.8915 178.845 -0.6375 179.2793 179.836 -0.2471 0.6877 -179.0828 179.123 -0.6474 0.6749 178.6613 -178.8706 -0.8842 -0.697 179.771 178.8462 -0.6858 -121.8788 -1.3286 118.8697 58.5831 179.1333 -60.6683 -0.0677 -179.8296 179.4673 -0.2947 179.6327 -59.7987 59.1503 0.1061 120.6747 -120.3763 -0.0069 179.9905 179.8303 -0.1723 0.8741 -179.3657 -178.8545 0.9057 -0.0768 179.6927 180.0066 -0.2239 0.0609 -179.9322 -179.9704 0.0365 -0.1332 179.86 179.8694 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 328.2775999999998 AuxInfo=1/0/N:27,26,25,24,20,22,21,18,12,14,23,9,19,13,16,7,2,17,15,4,8,6,3,11,5,10,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.1/rA:49O1CC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;;s4s6;s6;s4;s1s5;s10;s3;s8s9;s5;;s11s15;s15;s6;s11;s12;s8;s14s20;s17s19;s18;s21s24;s15;s17;s2;s2;s7;s9;s12;s13;s14;s16;s19;s18;s20;s22;s21;s23;s24;s25;s26;s26;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.005451 0.000000 3.032714 1.505478 0.000000 3.606315 1.506037 2.482881 0.000000 2.374241 2.538004 1.406969 3.240978 0.000000 4.639738 3.826790 4.653243 2.436236 4.896802 0.000000 3.390039 2.509224 3.429451 1.375942 3.728918 1.429661 0.000000 5.754037 4.330960 5.067076 2.825272 5.520768 1.419143 2.459465 0.000000 4.965883 2.530757 3.193349 1.431384 4.125955 2.818447 2.431779 2.434730 0.000000 1.215455 2.964663 2.532365 3.391599 1.498679 4.446180 3.307830 5.399783 4.575555 0.000000 2.366356 4.153883 3.695463 4.127339 2.548705 4.450440 3.707766 5.411581 5.152114 1.492842 0.000000 4.373382 2.516501 1.405138 3.405070 2.424876 5.662482 4.572578 5.785261 3.603871 3.810730 4.860217 0.000000 5.865752 3.794685 4.434366 2.432325 5.168784 2.456219 2.814584 1.431603 1.370802 5.431304 5.699776 4.858463 0.000000 3.464873 3.822138 2.433962 4.494781 1.402720 6.054570 5.013404 6.558474 5.154145 2.496353 3.065753 2.794047 6.135040 0.000000 4.752798 5.863340 5.343593 5.334126 4.360538 4.871053 4.804814 5.475520 5.889746 3.805862 2.432880 6.226863 5.952771 4.457748 0.000000 3.568453 4.520593 3.958134 4.159527 2.985987 4.221858 3.814334 4.896170 4.841897 2.520138 1.401434 4.906995 5.165621 3.271734 1.399906 0.000000 5.028556 6.728936 6.289140 6.285224 5.172077 5.635870 5.562756 6.444166 7.019662 4.300815 2.808285 7.292845 7.089445 5.270537 1.414583 2.430738 0.000000 5.124273 5.005816 5.805490 3.750314 5.810756 1.431964 2.496702 2.458110 4.250221 5.044812 4.755898 6.925861 3.763152 6.931144 4.927518 4.596542 5.387817 0.000000 2.876317 5.293992 4.957010 5.284119 3.768123 5.258481 4.631335 6.371650 6.397178 2.494002 1.401089 6.159588 6.860881 4.160930 2.812030 2.426017 2.431343 5.213785 0.000000 5.041625 3.803868 2.431009 4.611717 2.798070 6.685718 5.664704 6.781527 4.746937 4.296166 5.145526 1.395476 5.876742 2.416827 6.293815 5.083932 7.359888 7.885147 6.401572 0.000000 7.016403 5.761665 6.455470 4.255849 6.830940 2.458854 3.764569 1.430775 3.748646 6.639400 6.437684 7.123354 2.500411 7.788462 6.060688 5.775390 6.960578 2.815305 7.272810 8.045531 0.000000 4.678228 4.318325 2.812962 5.061858 2.427707 6.860001 5.852888 7.129490 5.420047 3.786433 4.403368 2.423702 6.451107 1.395307 5.494342 4.380193 6.441181 7.891801 5.539755 1.399614 8.352671 0.000000 4.248204 6.475854 6.115289 6.251796 4.920842 5.798446 5.478262 6.833921 7.225612 3.778628 2.419919 7.250208 7.476945 5.135255 2.434305 2.794647 1.402901 5.515204 1.395240 7.392432 7.510568 6.447702 0.000000 6.465829 6.232165 6.996931 4.869790 7.017841 2.433570 3.745425 2.817519 5.071314 6.309621 5.861742 8.022883 4.248886 8.056484 5.551512 5.491802 5.984354 1.372239 6.255911 8.942084 2.428213 8.961486 6.318093 0.000000 7.311100 6.555197 7.280499 5.076584 7.469677 2.819526 4.249047 2.432816 4.867542 7.018551 6.626271 8.110853 3.748641 8.444864 6.094226 6.030421 6.757419 2.428939 7.222944 9.015114 1.372542 9.171644 7.286672 1.425965 0.000000 6.042534 6.628745 6.075876 5.908201 5.281305 5.274726 5.490983 5.521130 6.124526 5.021502 3.796205 6.741412 5.947436 5.254053 1.494798 2.502602 2.531460 5.379808 4.306669 6.720893 5.854307 6.023207 3.811259 5.708782 5.941753 0.000000 6.492332 8.166140 7.735165 7.614969 6.632778 6.682526 6.826033 7.391355 8.243743 5.794572 4.302180 8.686470 8.144685 6.635432 2.528937 3.805880 1.493993 6.240379 3.793165 8.685907 7.668060 7.730217 2.505294 6.566503 7.293175 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AuxInfo=1/0/N:27,26,25,24,20,22,21,18,12,14,23,9,19,13,16,7,2,17,15,4,8,6,3,11,5,10,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.1/rA:49O1CC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;;s4s6;s6;s4;s1s5;s10;s3;s8s9;s5;;s11s15;s15;s6;s11;s12;s8;s14s20;s17s19;s18;s21s24;s15;s17;s2;s2;s7;s9;s12;s13;s14;s16;s19;s18;s20;s22;s21;s23;s24;s25;s26;s26;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.009542 0.000000 3.027583 1.529897 0.000000 3.494139 1.530246 2.553328 0.000000 2.415529 2.592980 1.431215 3.251416 0.000000 4.541976 3.882867 4.837462 2.472604 5.055029 0.000000 3.361328 2.555289 3.619796 1.399026 3.942513 1.434662 0.000000 5.585055 4.403635 5.196800 2.873702 5.531006 1.448740 2.487030 0.000000 4.754826 2.568664 3.172819 1.438260 3.937837 2.842033 2.442242 2.460582 0.000000 1.273227 3.048802 2.571358 3.379898 1.510711 4.544016 3.500714 5.330041 4.362272 0.000000 2.405042 4.325360 3.822483 4.245223 2.602136 4.754482 4.102494 5.461264 5.004486 1.498732 0.000000 4.370909 2.544154 1.415575 3.553016 2.444201 5.941429 4.811228 6.053314 3.735568 3.846046 4.991917 0.000000 5.643565 3.857553 4.475368 2.466962 5.025482 2.478124 2.833286 1.434869 1.394191 5.225785 5.551751 5.062411 0.000000 3.546706 3.884508 2.464783 4.536743 1.420323 6.284630 5.283809 6.608113 4.965059 2.516916 3.095485 2.804671 5.991532 0.000000 4.854273 6.226973 5.619282 5.740927 4.463231 5.659763 5.570508 5.927235 5.985779 3.859356 2.475100 6.525019 6.078752 4.447608 0.000000 3.676181 4.882245 4.214745 4.562098 3.057348 4.953031 4.574937 5.303964 4.921814 2.560111 1.420473 5.160666 5.275564 3.191752 1.413667 0.000000 5.085465 6.990766 6.519568 6.527228 5.297506 6.148527 6.101042 6.643688 6.975670 4.352610 2.855202 7.562181 7.033941 5.376783 1.429793 2.451043 0.000000 5.096643 5.063982 6.034213 3.790023 6.074470 1.434505 2.509005 2.482142 4.276315 5.268002 5.254041 7.235366 3.784151 7.297567 6.017832 5.553273 6.200926 0.000000 2.845993 5.360161 5.049216 5.247765 3.859884 5.309781 4.784631 6.212482 6.139388 2.508777 1.419051 6.283254 6.565938 4.326444 2.847275 2.444212 2.464862 5.445950 0.000000 5.084728 3.860213 2.472038 4.766266 2.839649 7.022927 5.965052 7.059797 4.819522 4.345779 5.270888 1.413875 6.034768 2.437123 6.522384 5.250464 7.622565 8.292097 6.581577 0.000000 6.832392 5.837293 6.592326 4.307228 6.839141 2.485773 3.792050 1.433847 3.782679 6.555515 6.464555 7.412794 2.513224 7.838016 6.508029 6.159393 7.137485 2.839157 7.077417 8.351767 0.000000 4.752612 4.388131 2.859161 5.171463 2.467106 7.173630 6.164986 7.307846 5.351074 3.827013 4.481224 2.443438 6.450827 1.411482 5.575798 4.394249 6.625211 8.321312 5.734761 1.411686 8.546804 0.000000 4.238926 6.599203 6.257820 6.294750 5.030835 5.975080 5.739710 6.756350 7.020149 3.804306 2.445849 7.434345 7.229910 5.303554 2.455504 2.805585 1.419853 5.920615 1.405919 7.623369 7.390249 6.669056 0.000000 6.415333 6.317343 7.236086 4.934966 7.253804 2.462363 3.782701 2.849601 5.120152 6.478922 6.269758 8.368611 4.284029 8.395014 6.576653 6.354471 6.720226 1.397244 6.401795 9.378941 2.452350 9.392609 6.628061 0.000000 7.184494 6.646350 7.478878 5.145587 7.590747 2.854522 4.288952 2.460927 4.921421 7.047985 6.818054 8.447765 3.784826 8.638749 6.809796 6.631950 7.175370 2.453993 7.163025 9.406930 1.397334 9.495647 7.336210 1.431988 0.000000 6.190233 7.105270 6.422622 6.493491 5.395458 6.353321 6.456723 6.287441 6.412193 5.100300 3.860116 7.116690 6.317543 5.189303 1.517970 2.542128 2.562214 6.782089 4.365020 6.972538 6.666398 6.058057 3.854632 7.121409 7.067909 0.000000 6.565095 8.459337 8.001401 7.895829 6.786537 7.247284 7.395097 7.645331 8.243131 5.868630 4.371622 9.004401 8.132906 6.774493 2.562144 3.848858 1.516541 7.128014 3.847606 8.999763 7.907441 7.956775 2.545861 7.408013 7.798366 2.981379 0.000000 2.386811 1.102342 2.163432 2.161594 2.851551 4.062383 2.630185 4.893708 3.468963 2.875219 4.240580 3.305577 4.625558 4.206866 6.409123 5.088323 6.967905 5.009914 5.041726 4.530003 6.297920 4.893501 6.360505 6.358610 6.913065 7.469928 8.450194 0.000000 4.010681 1.107015 2.148786 2.161752 3.469722 4.506912 3.277528 4.865691 2.831186 4.112380 5.416030 2.585828 4.151606 4.611181 7.262681 5.914759 8.076965 5.728915 6.460512 3.997408 6.274348 4.830389 7.705930 6.931006 7.166087 8.057232 9.539056 1.783603 0.000000 2.759631 2.760257 3.836360 2.162139 4.005855 2.186835 1.096762 3.476639 3.440398 3.268212 3.954205 5.146960 3.929999 5.391551 5.737064 4.739534 6.053182 2.736322 4.390210 6.287892 4.669006 6.392058 5.444363 4.127536 4.925837 6.821726 7.374456 2.374369 3.546072 0.000000 5.250596 2.754207 3.025961 2.190473 3.979911 3.938860 3.429752 3.454153 1.096892 4.754682 5.494182 3.155272 2.161752 4.807563 6.442888 5.321897 7.552844 5.373167 6.748180 4.168449 4.671775 4.900814 7.661728 6.192180 5.899344 6.755900 8.837214 3.814485 2.746445 4.339025 0.000000 5.095346 2.719666 2.167562 3.714910 3.436322 6.160422 5.057452 6.178587 3.748092 4.732277 5.933617 1.096905 5.087646 3.901570 7.467586 6.110830 8.516332 7.503001 7.203982 2.175000 7.529174 3.434955 8.377294 8.611275 8.623832 8.011523 9.955831 3.547090 2.297672 5.457804 3.013675 0.000000 6.642624 4.733583 5.196993 3.462248 5.773139 3.470330 3.930336 2.186846 2.165586 6.120559 6.370319 5.556677 1.097062 6.580742 6.603756 5.903628 7.654847 4.664508 7.435838 6.405892 2.743128 6.878768 8.007709 4.925290 4.133834 6.602751 8.658761 5.594150 4.902035 5.027057 2.494732 5.502687 0.000000 3.773332 4.764657 3.453189 5.288699 2.175166 6.740596 5.835358 7.124180 5.757849 2.697070 2.803179 3.900088 6.653069 1.095501 3.900115 2.841604 4.709065 7.609025 3.853960 3.429770 8.266873 2.173326 4.668202 8.658486 8.959084 4.695254 6.040150 4.955583 5.585721 5.857697 5.708136 4.996992 7.248915 0.000000 4.001134 4.506084 3.695229 4.192124 2.720751 4.917604 4.506282 5.028570 4.304500 2.779100 2.176913 4.441595 4.724696 2.746304 2.168424 1.095631 3.441456 5.758897 3.435571 4.470870 5.946726 3.724762 3.900954 6.550533 6.636365 2.732264 4.727451 4.936705 5.441276 4.872524 4.536498 5.363325 5.238780 2.666667 0.000000 2.520462 5.377719 5.220938 5.430571 4.140683 5.546156 4.880580 6.628101 6.512133 2.683261 2.167625 6.508694 7.033123 4.746730 3.941894 3.430597 3.462734 5.585793 1.094863 6.909037 7.553473 6.145934 2.186997 6.645234 7.564306 5.459433 4.731811 4.844761 6.442345 4.256066 7.146341 7.377466 7.983738 4.358359 4.331298 0.000000 4.718377 5.165644 6.162206 4.128910 6.112254 2.185635 2.734700 3.472402 4.911675 5.113696 5.137941 7.458259 4.660152 7.372752 6.173040 5.689014 6.155493 1.096609 5.102886 8.523042 3.935760 8.487271 5.636138 2.168928 3.451766 7.131402 7.109231 4.875595 5.881516 2.503106 5.990777 7.773573 5.617906 7.623609 6.048471 5.048897 0.000000 6.153447 4.723209 3.458565 5.627154 3.935413 7.922104 6.897297 7.845112 5.520784 5.441051 6.343075 2.179220 6.708627 3.434254 7.461265 6.242487 8.608084 9.236734 7.657131 1.095820 9.105172 2.180445 8.669076 10.289630 10.231599 7.782664 9.945497 5.435377 4.661634 7.269984 4.716217 2.502212 6.949603 4.340499 5.404883 7.991666 9.513856 0.000000 5.657125 5.483451 3.954443 6.232582 3.456594 8.158997 7.203260 8.240808 6.335190 4.692269 5.145074 3.440604 7.368121 2.177871 5.935228 4.921770 6.980138 9.282609 6.323613 2.182487 9.423168 1.095332 7.126174 10.311307 10.376924 6.269841 8.205788 5.969457 5.902998 7.428708 5.840367 4.345096 7.715643 2.503280 4.277977 6.785866 9.455192 2.520754 0.000000 7.679589 6.451191 7.103844 4.946236 7.407839 3.475847 4.669657 2.186310 4.131180 7.290460 7.181418 7.760762 2.743425 8.299302 7.002645 6.707035 7.751508 3.936127 7.892450 8.626003 1.096974 8.876570 8.154001 3.450881 2.169197 6.939147 8.448586 7.041227 6.795520 5.624222 4.836582 7.817494 2.515541 8.755728 6.364925 8.446870 5.032729 9.286457 9.699758 0.000000 4.901632 7.455361 7.199761 7.162464 5.987467 6.662698 6.478240 7.537435 7.962099 4.676699 3.438346 8.412700 8.132622 6.279169 3.445472 3.902056 2.173083 6.405343 2.169080 8.622847 8.090101 7.655005 1.096482 7.045838 7.872944 4.732135 2.734684 7.105105 8.558799 6.064541 8.654020 9.345242 8.937268 5.606509 4.997420 2.520482 5.988650 9.674298 8.089418 8.899620 0.000000 7.032270 7.226940 8.157367 5.910705 8.094566 3.456261 4.671778 3.945264 6.190824 7.185702 6.883048 9.343627 5.379753 9.231476 7.123076 7.033700 7.066339 2.165950 6.806990 10.346723 3.438552 10.297674 6.905399 1.095730 2.190478 7.703242 7.606708 7.157174 7.863908 4.833182 7.270285 9.613369 6.003668 9.419042 7.352441 6.979064 2.502218 11.285027 11.203894 4.348612 7.163249 0.000000 8.235069 7.727214 8.533081 6.217688 8.620161 3.950224 5.384708 3.455694 5.900938 8.071719 7.745015 9.467770 4.676602 9.618624 7.499280 7.470952 7.814027 3.440093 8.029624 10.391399 2.167015 10.462675 8.066141 2.191083 1.095781 7.618036 8.265097 8.008430 8.224859 6.003486 6.829279 9.632818 4.843426 9.900947 7.487376 8.464171 4.349245 11.192151 11.310308 2.503796 8.543603 2.513178 0.000000 6.915553 8.001433 7.194688 7.499347 6.075832 7.440409 7.493946 7.393844 7.437390 5.812315 4.529870 7.810336 7.391623 5.655816 2.184342 3.292240 2.882814 7.834852 4.896273 7.498723 7.753644 6.453563 4.225298 8.162342 8.124924 1.107078 2.930151 8.339237 8.954540 7.802678 7.714500 8.752474 7.643863 5.004389 3.525960 5.976764 8.131659 8.254539 6.490074 7.996379 4.983631 8.691754 8.631838 0.000000 6.230487 6.702626 5.935879 6.112604 5.046743 6.243325 6.292511 5.999948 5.848832 5.053740 4.055174 6.462044 5.797807 4.765390 2.175443 2.635778 3.479043 6.883796 4.867083 6.258637 6.450713 5.440899 4.630850 7.261764 7.060182 1.102919 4.073017 7.211834 7.569683 6.788437 6.051230 7.311902 5.971833 4.434151 2.359709 5.936974 7.340093 6.991250 5.640764 6.609667 5.600539 7.967827 7.644845 1.786297 0.000000 6.758647 7.582443 7.079716 6.771343 6.156835 6.241279 6.587652 6.082200 6.607581 5.760101 4.504883 7.829912 6.279674 6.117741 2.181911 3.272766 2.893556 6.522309 4.874381 7.809460 6.227566 6.999472 4.220643 6.650476 6.508212 1.107071 2.965227 7.951746 8.523794 7.006285 7.052276 8.654857 6.502289 5.700737 3.488474 5.946706 6.946676 8.621082 7.275012 6.453590 4.984287 7.163308 6.932150 1.776335 1.784333 0.000000 6.860438 9.015045 8.637823 8.489838 7.403982 7.726201 7.863832 8.269283 8.966872 6.334187 4.871789 9.717241 8.871181 7.459081 3.479174 4.625773 2.174826 7.439341 4.042825 9.761849 8.513320 8.706107 2.638253 7.713331 8.255996 4.073147 1.102814 8.882645 10.113141 7.709560 9.621596 10.671463 9.467045 6.693174 5.596032 4.735732 7.279147 10.739921 8.973568 9.133606 2.360777 7.775040 8.700220 3.997793 5.156691 4.025701 0.000000 7.187212 9.028275 8.404474 8.548123 7.135657 8.099912 8.186747 8.403660 8.818157 6.378725 4.894077 9.286862 8.755828 6.902770 2.889650 4.217261 2.182064 8.095054 4.509297 9.114457 8.686939 7.979274 3.288452 8.385259 8.680505 2.954667 1.107317 9.078992 10.091219 8.209741 9.307503 10.276835 9.208534 6.076140 4.984111 5.421755 8.120531 9.997073 8.080840 9.144508 3.511610 8.634045 9.133770 2.493006 4.013518 3.101616 1.786803 0.000000 7.064685 8.689410 8.334929 7.944418 7.230968 7.035605 7.392202 7.294222 8.154710 6.356931 4.890400 9.331639 7.859608 7.308975 2.883264 4.214261 2.180304 6.850688 4.501736 9.397563 7.368881 8.449843 3.285182 6.933989 7.198591 2.934857 1.107163 8.755929 9.742422 7.484473 8.791027 10.223352 8.302477 6.680857 4.971343 5.408361 6.953398 10.327292 8.743987 7.840591 3.510303 7.101938 7.551974 3.031282 4.004190 2.508197 1.786712 1.774639 0.000000 0.1968737 0.1751950 0.1152093 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 305 305 305 305 306 MxSgAt= 49 MxSgA2= 49. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 21321 NPrTT= 109444 LenC2= 18454 LenP2D= 56844. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 314 RedAO= T EigKep= 4.52D-04 NBF= 314 NBsUse= 314 1.00D-06 EigRej= -1.00D+00 NBFU= 314 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 303 303 305 305 305 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 0 1 -1077.31492975975 -1077.47003598280 -0.155106223052 -1077.64020208304 -0.170166100241 -1076.06386028842 1.576341794628 -1077.53366897866 -1.469808690248 -1077.73837301612 -0.204704037452 -1077.74445879150 -0.006085775386 -1077.74536565465 -0.000906863148 -1077.74549902454 -0.000133369891 -1077.74551087407 -0.000011849525 -1077.74561383085 -0.000102956781 -1077.74563385191 -0.000020021068 -1077.74562914832 0.000004703593 -1077.74563452621 -0.000005377893 -1077.74563470193 -0.000000175712 -1077.74563470415 -0.000000002228 -1077.74563470460 -0.000000000449 -1077.74563470460 0.000000000007 -1077.74563470465 -0.000000000050 -1077.74563470 19 1.073405660314e+03 -7.114401769541e+03 2.658488447166e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 318204 IEndB= 318204 NGot= 939524096 MDV= 939321443 LenX= 939321443 LenY= 939222406 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. 3.22391733e-01 4.56048469e-01 1.46036365e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.000893898 -0.007707007 -0.078661141 -0.004217739 -0.003335039 -0.024219965 -0.006490286 -0.010213887 -0.005687088 -0.009054879 -0.008712855 -0.000563539 0.003831656 0.002494404 -0.000141919 -0.001736582 0.011815486 -0.011315556 0.014167635 0.006931651 -0.003863405 0.003509095 -0.010627934 0.011921865 -0.010953453 0.002808163 -0.004515953 0.001246066 0.011087025 0.066954474 -0.007922457 -0.004993521 -0.004668228 0.001425183 -0.002879062 -0.001354679 0.014315829 -0.001808539 0.006309954 0.001415246 0.009220871 0.002179043 -0.000756629 -0.004818399 0.002831737 -0.002263767 -0.002580357 0.004354657 0.001794553 0.004475745 -0.000905562 -0.015555827 0.001048470 -0.005704410 -0.000866505 0.004347853 -0.010909226 -0.008013723 -0.004587600 0.008666532 -0.012417593 -0.008814504 0.005172371 -0.007164439 0.003947516 0.006221682 -0.000945447 0.002060954 -0.005480465 0.016347434 0.000735888 0.004063379 0.014150591 0.007891892 -0.003850988 0.004271516 -0.002521086 0.008200192 0.006191347 0.006596811 0.004157612 0.002227599 -0.002980317 0.009440945 -0.000631923 0.001543899 0.005758054 -0.000891388 0.000366279 -0.002520339 -0.003599081 -0.003433991 0.001875034 0.000062188 -0.005077188 -0.001334450 0.001091866 -0.003694327 0.003736088 0.000583693 0.002893064 0.000133535 -0.000394872 -0.001301069 0.001319619 -0.001725166 -0.000945488 -0.001991884 -0.000682400 0.003149686 -0.003384452 -0.002783655 -0.002058876 0.002726271 -0.003260974 0.002512826 0.003121211 0.001232526 -0.003653770 0.004078322 0.001497054 0.004551115 -0.001372686 0.003151634 0.003125978 -0.002254191 0.004550072 -0.001133818 0.002445584 0.000420024 0.004276890 0.003929951 -0.002137152 -0.002887126 -0.000592025 0.005003200 0.001213386 0.001381352 -0.000924997 0.001764032 -0.003622313 -0.000275551 0.001314804 0.005165872 0.004074377 -0.001408928 0.002769130 0.078661141 0.010311100 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1077.76130404340 -1077.76134516076 -0.000041117355 -1077.76134509458 0.000000066179 -1077.76134527966 -0.000000185077 -1077.76134531017 -0.000000030508 -1077.76134532075 -0.000000010587 -1077.76134532106 -0.000000000312 -1077.76134532108 -0.000000000014 -1077.76134532108 0.000000000000 -1077.76134532 9 1.072077066190e+03 -7.011113160350e+03 2.607734904496e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 318204 IEndB= 318204 NGot= 939524096 MDV= 939321443 LenX= 939321443 LenY= 939222406 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.746728 -9.984516 -9.924083 -9.923291 -9.919252 -9.918542 -9.914572 -9.914015 -9.913737 -9.911710 -9.909979 -9.909656 -9.909329 -9.909051 -9.908995 -9.907076 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0.140330 0.140692 0.141455 0.145262 0.147258 0.159856 0.164119 0.165315 0.167984 0.171792 0.175817 0.187857 0.192027 0.194131 0.199972 0.201559 0.209300 0.215485 0.222666 0.226233 0.231198 0.237272 0.240908 0.244819 0.246492 0.253505 0.258745 0.260744 0.267943 0.273505 0.278045 0.280067 0.288382 0.289139 0.291529 0.296949 0.301970 0.308657 0.316245 0.324621 0.329167 0.331082 0.340330 0.342672 0.346271 0.351323 0.353656 0.356814 0.359594 0.361206 0.365155 0.366545 0.372463 0.373867 0.378604 0.380707 0.382045 0.385382 0.386059 0.391283 0.393342 0.397362 0.401464 0.405194 0.409225 0.411763 0.413584 0.419139 0.421934 0.428804 0.431387 0.436298 0.443205 0.443329 0.450941 0.457422 0.462660 0.466208 0.476776 0.480064 0.488886 0.497495 0.500210 0.504143 0.509968 0.517010 0.528696 0.529684 0.551779 0.553704 0.561106 0.579530 0.583110 0.587657 0.590657 0.593121 0.610339 0.611605 0.626989 0.633545 0.636895 0.643282 0.657026 0.666270 0.676513 0.688445 0.695755 0.704978 0.711448 0.735181 0.750350 0.761021 0.769049 0.780741 0.799601 0.808750 0.824493 0.827406 0.841279 0.854378 0.866593 0.892468 0.902922 0.909677 0.927894 0.934549 0.940189 0.943905 0.950023 0.972972 0.975392 0.978635 0.993920 1.000005 1.003078 1.009921 1.015390 1.036571 1.046559 1.056298 1.066642 1.084200 1.092658 1.104580 1.122272 1.126731 1.136385 1.141477 1.144970 1.149010 1.184237 1.187058 1.198140 1.216050 1.220747 1.229885 1.243263 1.246840 1.271556 1.300934 1.318814 1.358306 1.373803 1.391378 1.427914 1.446200 1.483248 1.488906 1.501602 1.741092 22.266262 22.330978 22.412560 22.484433 22.527704 22.556917 22.574162 22.575659 22.577958 22.590862 22.603020 22.620276 22.638073 22.657304 22.672427 22.685298 22.686665 22.701711 22.702159 22.714028 22.728748 22.762771 22.772574 22.792607 22.803471 22.807568 41.579598 29.116754 15.954666 15.954848 15.955560 15.955056 15.952530 15.955640 15.953005 15.954059 15.955685 15.955411 15.953860 15.954309 15.953011 15.953307 15.954272 15.954199 15.955706 15.955618 15.954899 15.954188 15.954328 15.954540 15.955763 15.955200 15.955841 15.953019 2.601307 1.492085 1.486502 1.488998 1.494827 1.565482 1.534016 1.530332 1.595899 1.592375 1.653101 1.619936 1.534825 1.506480 1.553065 1.609774 1.495992 1.471728 1.450912 1.490873 1.318608 1.508605 1.475258 1.137287 1.090042 1.399416 1.277862 1.241496 1.245326 1.320939 1.397109 1.306402 1.051366 1.131296 1.285479 1.232987 1.274947 1.426502 1.499729 1.286885 1.466852 0.993625 1.304887 1.290173 1.138127 1.177483 1.266392 1.330222 1.168882 1.435996 1.354933 1.306629 1.432225 1.393910 1.433423 1.551499 1.388540 1.098751 1.103414 1.192439 1.281755 1.208304 1.336235 1.227657 2.320365 1.224496 1.766248 1.387148 1.389245 1.448316 1.433667 1.472895 1.389272 1.746742 1.581538 1.061107 1.646241 1.176861 1.195230 1.358246 1.234442 1.378428 1.166506 1.214076 1.157398 1.145084 1.178489 1.307899 1.150122 1.351452 1.148121 1.033432 1.184528 1.161634 1.203330 1.212446 1.240964 1.197871 1.230956 1.296318 1.152046 1.379513 0.930854 1.379240 1.766958 1.054991 1.180381 1.211583 1.145183 1.263609 1.146341 1.172861 1.285752 1.163256 1.280437 1.461739 1.310060 1.378210 1.541703 1.305240 1.736567 1.585369 1.457247 1.444447 1.376653 1.451109 1.668635 1.562036 1.787596 1.462194 1.729573 1.770569 1.651621 1.688218 1.730109 1.754630 2.006709 1.685816 1.696837 1.787705 1.660382 1.674323 1.782230 1.808891 1.794666 1.880165 2.038902 1.703818 2.154117 1.510933 1.663837 1.628236 1.877602 1.817442 1.863265 1.735999 1.838101 1.818718 2.005273 2.353612 1.894715 1.838531 2.039911 1.853674 1.964798 2.058041 2.031729 2.043050 1.994477 2.003652 1.974686 1.955158 2.382793 2.113504 2.075126 1.888530 1.937270 1.791169 2.070831 2.218186 1.866495 2.127316 2.362612 2.450611 1.912295 2.238978 2.170512 2.389163 2.463940 3.126872 2.515057 2.825978 2.500292 2.447480 2.173233 2.672370 2.921068 2.437148 2.517559 2.527738 2.154369 2.252280 2.294863 1.995239 2.273174 2.192915 2.332203 2.298723 2.448436 2.914590 2.874253 2.555772 2.838489 2.602324 2.910721 2.870510 2.962367 2.907762 2.781211 2.899744 2.848830 2.797999 2.869315 2.989784 2.670432 2.819014 2.929749 2.985459 2.929645 2.965990 2.939392 2.823082 2.940817 2.861318 2.952778 2.918951 2.756932 2.671474 2.608546 2.764245 2.774369 2.742050 2.681928 2.573089 2.702479 2.685519 2.756229 3.033458 3.103309 2.739000 2.746626 2.687286 2.763444 2.786393 2.872575 2.898716 2.922468 2.966621 2.924189 5.253061 57.413075 57.409543 57.408496 57.407265 57.415703 57.410564 57.403632 57.412952 57.403404 57.406592 57.404625 57.396875 57.403834 57.397802 57.397767 57.390994 57.396760 57.405856 57.388605 57.397940 57.398227 57.398591 57.388296 57.387318 57.384491 57.382645 105.841759 1.072077066190D+03 PT9368.800S 2018-02-26T23:16:45.000+01:00 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 O C C C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H 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6PX 6PY 6PZ 2 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 3 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 6 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 7 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 8 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 9 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 10 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 11 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 12 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 13 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 14 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 21 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 22 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 23 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 24 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 25 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 26 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 27 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 47 H 1S 2S 48 H 1S 2S 49 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|25 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|26 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|27 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S|47 H 1S|2S|48 H 1S|2S|49 H 1S|2S 1.13253 0.85914 0.97158 0.88783 1.13825 1.17771 1.04935 0.39109 0.41317 0.21938 1.17419 0.81409 0.71486 0.76987 0.86545 0.91676 0.92109 0.11898 0.24887 0.23165 1.17444 0.81380 0.75655 0.42621 0.84106 0.90303 0.81839 0.02413 -0.20357 0.04496 1.17442 0.81396 0.75446 0.39874 0.89904 0.80315 0.87176 -0.14410 0.07825 -0.18136 1.17434 0.81374 0.74826 0.50085 0.85375 0.90852 0.84443 0.06464 -0.14114 0.07668 1.17436 0.81379 0.75475 0.44911 0.92453 0.80826 0.87256 -0.06849 0.07160 -0.16821 1.17436 0.81387 0.74882 0.60276 0.91286 0.81317 0.89360 0.16334 0.23978 0.26798 1.17436 0.81384 0.75522 0.45459 0.92130 0.81094 0.87427 -0.08012 0.06670 -0.16999 1.17438 0.81398 0.74886 0.57245 0.93346 0.80460 0.87605 0.12874 0.22319 0.13410 1.17460 0.81361 0.78454 0.43156 0.78660 0.82616 0.85787 0.13784 0.14367 0.05833 1.17435 0.81385 0.75147 0.45118 0.82597 0.87121 0.91448 0.12090 -0.02726 -0.24266 1.17439 0.81400 0.75190 0.56278 0.85061 0.93098 0.83332 0.12585 0.20731 0.17624 1.17438 0.81399 0.75093 0.55712 0.92045 0.80710 0.88665 0.09504 0.22400 0.19781 1.17440 0.81395 0.75391 0.55918 0.85008 0.94294 0.81548 0.08946 0.20856 0.15833 1.17440 0.81389 0.75341 0.41654 0.81700 0.86955 0.89211 0.09033 -0.06702 -0.09150 1.17439 0.81382 0.75198 0.58962 0.81267 0.88351 0.91493 0.18518 0.21936 0.19588 1.17444 0.81390 0.75780 0.42674 0.79649 0.85479 0.91239 0.09865 -0.04951 -0.10694 1.17438 0.81400 0.75330 0.55053 0.91793 0.80573 0.88790 0.07644 0.22844 0.21210 1.17439 0.81398 0.75293 0.57153 0.79545 0.86413 0.94857 0.17692 0.10780 0.19918 1.17443 0.81412 0.75618 0.53832 0.85442 0.91729 0.82826 0.17620 0.00988 0.16944 1.17438 0.81402 0.75276 0.54498 0.91284 0.81015 0.88902 0.06602 0.23720 0.21206 1.17440 0.81414 0.75312 0.53861 0.85735 0.91337 0.83921 0.15498 0.00819 0.20394 1.17439 0.81401 0.75148 0.55161 0.81797 0.88569 0.91092 0.21806 0.21807 0.07207 1.17441 0.81414 0.75376 0.53096 0.93079 0.80275 0.87119 0.08793 0.19981 0.08204 1.17441 0.81415 0.75373 0.53186 0.93580 0.80005 0.86896 0.13421 0.17015 0.06202 1.17419 0.81430 0.72242 0.73696 0.92566 0.93147 0.87533 0.23430 0.23936 0.16447 1.17419 0.81429 0.72268 0.73519 0.90514 0.89787 0.92995 0.20168 0.19302 0.23419 0.50699 0.22007 0.51250 0.26687 0.51359 0.22100 0.51653 0.25038 0.51641 0.24712 0.51609 0.25173 0.51531 0.22120 0.51521 0.21708 0.51118 0.21602 0.51590 0.24196 0.51585 0.25456 0.51561 0.25195 0.51625 0.24793 0.51656 0.24997 0.51635 0.25817 0.51638 0.25876 0.50812 0.26848 0.51167 0.25300 0.50753 0.26217 0.51161 0.25655 0.50717 0.26494 0.50692 0.26223 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 O C C C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.240037 -0.775808 0.401014 0.531683 0.155937 0.367726 -0.630542 0.378899 -0.409815 -0.014785 0.346507 -0.427373 -0.427453 -0.366289 0.331286 -0.541342 0.321263 -0.420754 -0.404884 -0.238545 -0.413425 -0.257310 -0.414281 -0.247782 -0.245348 -0.818448 -0.808196 0.272938 0.220622 0.265410 0.233087 0.236470 0.232182 0.263495 0.267708 0.272792 0.242145 0.229586 0.232434 0.235818 0.233467 0.225479 0.224859 0.223397 0.235330 0.230304 0.231845 0.227885 0.230854 0.00000 1.88753073e-01 5.83967258e-01 1.50848319e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.4798 1.4843 3.8342 4.1394 -145.9690 -143.5739 -153.8764 10.4168 -5.6345 -0.8365 1.8374 4.2325 -6.0700 10.4168 -5.6345 -0.8365 -29.1512 90.4110 16.4815 -24.9194 -1.1103 38.0016 -1.0181 23.6272 31.2600 -13.7930 -5848.4143 -5613.1374 -1824.9790 146.5541 32.1145 391.1968 -505.2657 166.0455 -421.1286 -1951.4190 -1295.5391 -1192.9153 -213.8713 145.8016 65.0876 0 -1077.7613453 5.542E-9 9.578E-6 1.3660914,3.1467703,-4.5128617,7.7446242,-4.189079,-0.6219206 C01 [X(C26H22O1)] 0.1887531 0.5839673 1.5084832 @ -0.000000195 -0.000002035 -0.000008897 -0.000009062 0.000001276 -0.000018977 0.000030527 0.000022271 -0.000012358 -0.000019057 -0.000031496 0.000046523 -0.000003402 -0.000013216 -0.000005925 -0.000002399 0.000012670 -0.000021910 0.000017837 0.000002085 -0.000012996 0.000002466 -0.000014621 0.000021347 0.000001248 0.000013191 -0.000013862 -0.000010717 -0.000028248 -0.000006467 0.000002512 -0.000009956 0.000022107 -0.000011964 0.000006185 0.000024190 0.000007042 0.000007444 -0.000003678 -0.000003835 0.000008964 0.000003087 -0.000002194 -0.000000332 -0.000008242 0.000009850 0.000007544 -0.000004434 0.000000204 0.000006159 -0.000011518 -0.000011959 -0.000004687 -0.000000507 -0.000004686 0.000004232 -0.000006055 -0.000004722 -0.000010574 -0.000005946 -0.000012237 -0.000002121 0.000002964 0.000005196 0.000005150 0.000011106 0.000001411 -0.000005029 0.000004520 0.000009393 -0.000002240 0.000008992 0.000003441 0.000006138 -0.000010545 -0.000006328 -0.000002668 0.000011922 0.000004573 0.000014812 0.000000504 0.000011562 0.000009887 0.000004775 -0.000005516 0.000002810 0.000003873 -0.000004965 0.000000516 0.000004161 0.000002641 -0.000002703 0.000005201 -0.000001403 -0.000001280 0.000002438 -0.000000653 0.000001636 0.000002299 -0.000008682 -0.000002164 -0.000003810 0.000003950 0.000003132 0.000000923 -0.000000169 -0.000002428 0.000001658 0.000001589 -0.000001746 -0.000000159 0.000005685 -0.000002203 0.000005384 -0.000001664 0.000002920 -0.000002866 0.000004542 0.000002087 0.000000276 -0.000000651 -0.000000986 -0.000004328 -0.000002780 -0.000001519 -0.000003027 -0.000001294 -0.000001318 0.000002453 0.000006079 0.000002054 -0.000003675 -0.000000781 0.000006695 -0.000003374 0.000001862 0.000000659 -0.000003658 -0.000003527 -0.000002754 -0.000002514 0.000001741 -0.000003078 -0.000004005 -0.000000510 -0.000001118 -0.000006967 328.2775999999998 AuxInfo=1/0/N:27,26,25,24,20,22,21,18,12,14,23,9,19,13,16,7,2,17,15,4,8,6,3,11,5,10,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.1/rA:49O1CC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;;s4s6;s6;s4;s1s5;s10;s3;s8s9;s5;;s11s15;s15;s6;s11;s12;s8;s14s20;s17s19;s18;s21s24;s15;s17;s2;s2;s7;s9;s12;s13;s14;s16;s19;s18;s20;s22;s21;s23;s24;s25;s26;s26;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2023 CBGUSER 000264438 EM64L-G09RevD.01 26-Feb-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 141 C1[X(C26H22O)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 328.2775999999998 0 1 AuxInfo=1/0/N:27,26,25,24,20,22,21,18,12,14,23,9,19,13,16,7,2,17,15,4,8,6,3,11,5,10,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.1/rA:49O1CC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;;s4s6;s6;s4;s1s5;s10;s3;s8s9;s5;;s11s15;s15;s6;s11;s12;s8;s14s20;s17s19;s18;s21s24;s15;s17;s2;s2;s7;s9;s12;s13;s14;s16;s19;s18;s20;s22;s21;s23;s24;s25;s26;s26;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-27297.inp" -scrdir="/scratch/" chk=000264438-Freq.chk nprocshared=4 mem=7GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000264438 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000207 0.000049 0.072926 0.024709 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -9.851918e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2253.5398125569 314 736 314 93 93 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 328.2775999999998 AuxInfo=1/0/N:27,26,25,24,20,22,21,18,12,14,23,9,19,13,16,7,2,17,15,4,8,6,3,11,5,10,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.1/rA:49O1CC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;;s4s6;s6;s4;s1s5;s10;s3;s8s9;s5;;s11s15;s15;s6;s11;s12;s8;s14s20;s17s19;s18;s21s24;s15;s17;s2;s2;s7;s9;s12;s13;s14;s16;s19;s18;s20;s22;s21;s23;s24;s25;s26;s26;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.009543 0.000000 3.027583 1.529897 0.000000 3.494139 1.530247 2.553329 0.000000 2.415529 2.592980 1.431214 3.251416 0.000000 4.541977 3.882868 4.837462 2.472604 5.055030 0.000000 3.361328 2.555290 3.619796 1.399026 3.942513 1.434662 0.000000 5.585055 4.403635 5.196799 2.873701 5.531006 1.448740 2.487029 0.000000 4.754827 2.568665 3.172820 1.438260 3.937837 2.842034 2.442242 2.460582 0.000000 1.273227 3.048802 2.571357 3.379898 1.510711 4.544017 3.500714 5.330041 4.362272 0.000000 2.405041 4.325360 3.822483 4.245223 2.602137 4.754483 4.102494 5.461264 5.004487 1.498732 0.000000 4.370910 2.544155 1.415576 3.553017 2.444201 5.941429 4.811228 6.053314 3.735568 3.846046 4.991917 0.000000 5.643566 3.857554 4.475369 2.466962 5.025483 2.478124 2.833287 1.434868 1.394191 5.225786 5.551751 5.062412 0.000000 3.546706 3.884508 2.464782 4.536743 1.420322 6.284630 5.283808 6.608113 4.965059 2.516915 3.095486 2.804671 5.991532 0.000000 4.854272 6.226974 5.619282 5.740927 4.463231 5.659763 5.570508 5.927235 5.985779 3.859356 2.475100 6.525019 6.078751 4.447608 0.000000 3.676181 4.882245 4.214744 4.562097 3.057348 4.953031 4.574937 5.303964 4.921814 2.560110 1.420473 5.160666 5.275564 3.191751 1.413667 0.000000 5.085464 6.990767 6.519568 6.527228 5.297506 6.148527 6.101042 6.643689 6.975671 4.352610 2.855202 7.562181 7.033942 5.376782 1.429793 2.451044 0.000000 5.096643 5.063983 6.034213 3.790022 6.074470 1.434505 2.509005 2.482142 4.276315 5.268002 5.254042 7.235366 3.784151 7.297567 6.017832 5.553273 6.200927 0.000000 2.845992 5.360162 5.049216 5.247765 3.859885 5.309782 4.784632 6.212482 6.139389 2.508778 1.419051 6.283254 6.565938 4.326444 2.847275 2.444212 2.464862 5.445951 0.000000 5.084729 3.860213 2.472038 4.766267 2.839649 7.022927 5.965052 7.059797 4.819522 4.345779 5.270889 1.413875 6.034768 2.437123 6.522384 5.250463 7.622565 8.292097 6.581578 0.000000 6.832392 5.837294 6.592326 4.307228 6.839141 2.485772 3.792050 1.433847 3.782679 6.555515 6.464555 7.412794 2.513224 7.838016 6.508028 6.159393 7.137486 2.839157 7.077417 8.351767 0.000000 4.752612 4.388131 2.859161 5.171463 2.467106 7.173630 6.164986 7.307845 5.351074 3.827012 4.481224 2.443437 6.450827 1.411482 5.575798 4.394249 6.625211 8.321311 5.734761 1.411686 8.546804 0.000000 4.238926 6.599204 6.257821 6.294750 5.030835 5.975081 5.739710 6.756351 7.020149 3.804307 2.445849 7.434346 7.229911 5.303555 2.455505 2.805586 1.419853 5.920615 1.405920 7.623370 7.390249 6.669057 0.000000 6.415333 6.317343 7.236086 4.934966 7.253804 2.462362 3.782701 2.849601 5.120153 6.478922 6.269758 8.368611 4.284029 8.395014 6.576653 6.354471 6.720227 1.397244 6.401794 9.378941 2.452350 9.392609 6.628061 0.000000 7.184494 6.646351 7.478878 5.145587 7.590747 2.854522 4.288952 2.460927 4.921421 7.047985 6.818053 8.447764 3.784826 8.638748 6.809795 6.631950 7.175370 2.453994 7.163025 9.406929 1.397334 9.495646 7.336210 1.431988 0.000000 6.190233 7.105270 6.422622 6.493491 5.395458 6.353321 6.456723 6.287441 6.412194 5.100300 3.860116 7.116690 6.317543 5.189303 1.517969 2.542128 2.562214 6.782089 4.365019 6.972538 6.666398 6.058057 3.854632 7.121409 7.067909 0.000000 6.565095 8.459338 8.001402 7.895829 6.786538 7.247285 7.395098 7.645332 8.243132 5.868631 4.371622 9.004402 8.132906 6.774494 2.562144 3.848859 1.516542 7.128015 3.847606 8.999764 7.907441 7.956776 2.545861 7.408014 7.798366 2.981380 0.000000 2.386811 1.102341 2.163432 2.161594 2.851550 4.062384 2.630185 4.893707 3.468963 2.875219 4.240580 3.305577 4.625558 4.206865 6.409122 5.088322 6.967905 5.009914 5.041726 4.530003 6.297921 4.893500 6.360505 6.358610 6.913065 7.469928 8.450194 0.000000 4.010681 1.107014 2.148785 2.161752 3.469721 4.506913 3.277528 4.865690 2.831186 4.112380 5.416030 2.585828 4.151607 4.611180 7.262681 5.914758 8.076965 5.728915 6.460512 3.997407 6.274348 4.830388 7.705930 6.931006 7.166087 8.057232 9.539056 1.783603 0.000000 2.759631 2.760258 3.836360 2.162139 4.005855 2.186835 1.096763 3.476639 3.440399 3.268213 3.954205 5.146961 3.930000 5.391551 5.737064 4.739534 6.053182 2.736322 4.390210 6.287893 4.669006 6.392058 5.444363 4.127535 4.925837 6.821726 7.374456 2.374370 3.546073 0.000000 5.250596 2.754207 3.025962 2.190474 3.979911 3.938860 3.429751 3.454153 1.096892 4.754682 5.494182 3.155272 2.161752 4.807563 6.442887 5.321897 7.552844 5.373167 6.748180 4.168449 4.671775 4.900813 7.661728 6.192180 5.899344 6.755900 8.837214 3.814486 2.746446 4.339026 0.000000 5.095346 2.719666 2.167562 3.714910 3.436322 6.160423 5.057451 6.178587 3.748093 4.732277 5.933617 1.096905 5.087646 3.901570 7.467585 6.110829 8.516332 7.503001 7.203982 2.175000 7.529174 3.434954 8.377294 8.611275 8.623832 8.011523 9.955831 3.547089 2.297672 5.457805 3.013676 0.000000 6.642624 4.733584 5.196993 3.462248 5.773139 3.470330 3.930336 2.186846 2.165586 6.120559 6.370319 5.556677 1.097061 6.580742 6.603755 5.903628 7.654848 4.664508 7.435838 6.405892 2.743128 6.878767 8.007710 4.925290 4.133833 6.602751 8.658761 5.594150 4.902035 5.027057 2.494732 5.502687 0.000000 3.773332 4.764658 3.453189 5.288700 2.175166 6.740597 5.835358 7.124181 5.757850 2.697070 2.803179 3.900088 6.653070 1.095501 3.900115 2.841604 4.709064 7.609026 3.853960 3.429770 8.266874 2.173327 4.668202 8.658486 8.959084 4.695253 6.040151 4.955582 5.585721 5.857697 5.708136 4.996992 7.248916 0.000000 4.001133 4.506084 3.695229 4.192124 2.720751 4.917604 4.506282 5.028570 4.304501 2.779099 2.176913 4.441596 4.724696 2.746304 2.168423 1.095630 3.441455 5.758897 3.435570 4.470871 5.946726 3.724763 3.900953 6.550533 6.636364 2.732264 4.727451 4.936704 5.441276 4.872524 4.536499 5.363325 5.238780 2.666668 0.000000 2.520461 5.377719 5.220937 5.430571 4.140683 5.546157 4.880580 6.628100 6.512134 2.683261 2.167624 6.508694 7.033123 4.746729 3.941893 3.430597 3.462733 5.585793 1.094862 6.909037 7.553472 6.145934 2.186997 6.645233 7.564306 5.459432 4.731811 4.844760 6.442345 4.256066 7.146341 7.377466 7.983738 4.358359 4.331297 0.000000 4.718378 5.165645 6.162206 4.128910 6.112254 2.185636 2.734701 3.472402 4.911676 5.113696 5.137941 7.458259 4.660153 7.372752 6.173040 5.689014 6.155493 1.096609 5.102886 8.523043 3.935760 8.487271 5.636138 2.168927 3.451767 7.131402 7.109231 4.875596 5.881517 2.503106 5.990778 7.773573 5.617906 7.623610 6.048471 5.048897 0.000000 6.153448 4.723209 3.458566 5.627155 3.935413 7.922105 6.897297 7.845112 5.520784 5.441051 6.343076 2.179220 6.708628 3.434255 7.461265 6.242487 8.608084 9.236734 7.657132 1.095819 9.105172 2.180445 8.669077 10.289631 10.231600 7.782664 9.945497 5.435377 4.661634 7.269985 4.716218 2.502212 6.949603 4.340499 5.404884 7.991666 9.513857 0.000000 5.657126 5.483451 3.954444 6.232583 3.456594 8.158998 7.203261 8.240809 6.335190 4.692269 5.145074 3.440604 7.368121 2.177871 5.935228 4.921770 6.980138 9.282609 6.323614 2.182487 9.423168 1.095332 7.126175 10.311307 10.376924 6.269841 8.205789 5.969457 5.902997 7.428709 5.840368 4.345096 7.715643 2.503280 4.277977 6.785867 9.455193 2.520754 0.000000 7.679589 6.451192 7.103844 4.946236 7.407839 3.475847 4.669657 2.186310 4.131180 7.290460 7.181419 7.760762 2.743425 8.299302 7.002644 6.707035 7.751509 3.936127 7.892450 8.626003 1.096974 8.876571 8.154001 3.450881 2.169196 6.939147 8.448587 7.041228 6.795520 5.624222 4.836582 7.817495 2.515541 8.755729 6.364926 8.446869 5.032729 9.286457 9.699759 0.000000 4.901632 7.455361 7.199761 7.162464 5.987467 6.662698 6.478240 7.537435 7.962099 4.676699 3.438345 8.412700 8.132621 6.279169 3.445471 3.902056 2.173083 6.405343 2.169079 8.622847 8.090100 7.655005 1.096481 7.045838 7.872943 4.732134 2.734683 7.105105 8.558799 6.064540 8.654020 9.345242 8.937267 5.606509 4.997419 2.520482 5.988649 9.674298 8.089419 8.899620 0.000000 7.032270 7.226940 8.157367 5.910704 8.094566 3.456260 4.671778 3.945264 6.190823 7.185702 6.883047 9.343626 5.379752 9.231475 7.123076 7.033699 7.066340 2.165950 6.806989 10.346722 3.438551 10.297673 6.905399 1.095730 2.190478 7.703242 7.606708 7.157174 7.863908 4.833181 7.270285 9.613369 6.003668 9.419042 7.352440 6.979063 2.502217 11.285026 11.203894 4.348611 7.163249 0.000000 8.235069 7.727214 8.533081 6.217687 8.620161 3.950224 5.384707 3.455694 5.900938 8.071719 7.745014 9.467770 4.676602 9.618623 7.499279 7.470951 7.814027 3.440092 8.029623 10.391398 2.167014 10.462675 8.066141 2.191083 1.095781 7.618036 8.265097 8.008430 8.224859 6.003486 6.829279 9.632818 4.843426 9.900947 7.487376 8.464171 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3.272767 2.893556 6.522309 4.874381 7.809461 6.227566 6.999473 4.220642 6.650476 6.508212 1.107072 2.965227 7.951746 8.523793 7.006285 7.052276 8.654857 6.502289 5.700736 3.488474 5.946705 6.946676 8.621082 7.275012 6.453590 4.984286 7.163308 6.932150 1.776335 1.784334 0.000000 6.860437 9.015045 8.637823 8.489838 7.403982 7.726201 7.863832 8.269283 8.966872 6.334187 4.871788 9.717241 8.871181 7.459081 3.479174 4.625774 2.174826 7.439341 4.042824 9.761849 8.513320 8.706108 2.638252 7.713331 8.255996 4.073147 1.102814 8.882645 10.113140 7.709559 9.621596 10.671463 9.467045 6.693173 5.596032 4.735731 7.279147 10.739921 8.973569 9.133606 2.360777 7.775039 8.700220 3.997793 5.156691 4.025701 0.000000 7.187211 9.028275 8.404474 8.548123 7.135658 8.099912 8.186747 8.403660 8.818157 6.378725 4.894077 9.286862 8.755827 6.902770 2.889650 4.217262 2.182064 8.095054 4.509297 9.114457 8.686939 7.979275 3.288452 8.385259 8.680505 2.954667 1.107317 9.078991 10.091218 8.209740 9.307503 10.276835 9.208534 6.076140 4.984111 5.421756 8.120531 9.997074 8.080841 9.144507 3.511610 8.634045 9.133769 2.493005 4.013518 3.101615 1.786803 0.000000 7.064684 8.689410 8.334928 7.944418 7.230967 7.035606 7.392202 7.294222 8.154710 6.356931 4.890400 9.331638 7.859608 7.308975 2.883263 4.214261 2.180304 6.850688 4.501735 9.397563 7.368881 8.449843 3.285181 6.933989 7.198591 2.934857 1.107163 8.755928 9.742421 7.484472 8.791026 10.223352 8.302477 6.680856 4.971342 5.408361 6.953397 10.327292 8.743987 7.840591 3.510302 7.101937 7.551973 3.031282 4.004190 2.508196 1.786712 1.774638 0.000000 C26H22O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 328.2775999999998 AuxInfo=1/0/N:27,26,25,24,20,22,21,18,12,14,23,9,19,13,16,7,2,17,15,4,8,6,3,11,5,10,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.1/rA:49O1CC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;;s4s6;s6;s4;s1s5;s10;s3;s8s9;s5;;s11s15;s15;s6;s11;s12;s8;s14s20;s17s19;s18;s21s24;s15;s17;s2;s2;s7;s9;s12;s13;s14;s16;s19;s18;s20;s22;s21;s23;s24;s25;s26;s26;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.1968737 0.1751950 0.1152093 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 21321 NPrTT= 109444 LenC2= 18454 LenP2D= 56844. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 314 RedAO= T EigKep= 4.52D-04 NBF= 314 NBsUse= 314 1.00D-06 EigRej= -1.00D+00 NBFU= 314 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 301 301 302 304 305 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 0 1 -1077.35471282410 -1077.49548839233 -0.140775568227 -1077.59361607431 -0.098127681989 -1075.95531625903 1.638299815284 -1077.56144965001 -1.606133390979 -1077.74408537933 -0.182635729320 -1077.75693749739 -0.012852118064 -1077.76093274287 -0.003995245482 -1077.76132544988 -0.000392707001 -1077.76137501726 -0.000049567386 -1077.76133512411 0.000039893149 -1077.76135011213 -0.000014988021 -1077.76133906313 0.000011049006 -1077.76135370809 -0.000014644963 -1077.76135442770 -0.000000719611 -1077.76135444632 -0.000000018623 -1077.76135444666 -0.000000000331 -1077.76135444675 -0.000000000092 -1077.76135444672 0.000000000030 -1077.76135445 19 1.072077115099e+03 -7.011113001962e+03 2.607734719859e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 318724 IEndB= 318724 NGot= 939524096 MDV= 939320923 LenX= 939320923 LenY= 939221886 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 49. Will process 50 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 939523288 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 750000000 NMat= 150 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 150 NMatS0= 150 NMatT0= 0 NMatD0= 150 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 2.06D-14 1.00D-09 XBig12= 6.47D+02 1.24D+01. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 2.06D-14 1.00D-09 XBig12= 1.94D+02 2.53D+00. 147 vectors produced by pass 2 Test12= 2.06D-14 1.00D-09 XBig12= 6.94D-01 6.88D-02. 147 vectors produced by pass 3 Test12= 2.06D-14 1.00D-09 XBig12= 2.57D-04 1.64D-03. 101 vectors produced by pass 4 Test12= 2.06D-14 1.00D-09 XBig12= 4.85D-08 1.92D-05. 12 vectors produced by pass 5 Test12= 2.06D-14 1.00D-09 XBig12= 5.36D-12 1.52D-07. 3 vectors produced by pass 6 Test12= 2.06D-14 1.00D-09 XBig12= 3.44D-15 3.11D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 704 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 284.32 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 281.234 -61.576 325.417 -10.971 18.310 246.314 488.329 -142.827 626.318 -32.990 46.860 575.905 (Enter /mnt/data/applications/G09/g09/l716.exe) PT10406.600S 2018-02-27T00:00:21.000+01:00 -18.74673 -9.98451 -9.92408 -9.92328 -9.91925 -9.91853 -9.91457 -9.91401 -9.91373 -9.91171 -9.90999 -9.90967 -9.90933 -9.90904 -9.90901 -9.90707 -9.90628 -9.90185 -9.90128 -9.90103 -9.90093 -9.89942 -9.89933 -9.89884 -9.89694 -9.89656 -9.89428 -0.94033 -0.79123 -0.78802 -0.78406 -0.74546 -0.71891 -0.70918 -0.69951 -0.69279 -0.68820 -0.66807 -0.64806 -0.64091 -0.62001 -0.61315 -0.57648 -0.55693 -0.54839 -0.54625 -0.53707 -0.53107 -0.51929 -0.48873 -0.46420 -0.45482 -0.44750 -0.43560 -0.43052 -0.42895 -0.41989 -0.40866 -0.39474 -0.39230 -0.39150 -0.38571 -0.38174 -0.37324 -0.36902 -0.36639 -0.36577 -0.36157 -0.35934 -0.34990 -0.34888 -0.34644 -0.34116 -0.33767 -0.33213 -0.32645 -0.31561 -0.31321 -0.31023 -0.30573 -0.29821 -0.29583 -0.28787 -0.28184 -0.27789 -0.24831 -0.23343 -0.22667 -0.22526 -0.21821 -0.21062 -0.19698 -0.18759 -0.09588 -0.06341 -0.04869 -0.04310 -0.03627 -0.03198 -0.00274 0.00550 0.05102 0.07777 0.08439 0.09306 0.10047 0.10484 0.10785 0.11056 0.11307 0.11876 0.12322 0.12529 0.13088 0.13469 0.13739 0.13841 0.14034 0.14071 0.14146 0.14527 0.14725 0.15987 0.16412 0.16534 0.16797 0.17178 0.17585 0.18785 0.19207 0.19413 0.19998 0.20160 0.20928 0.21551 0.22265 0.22622 0.23118 0.23730 0.24092 0.24482 0.24649 0.25351 0.25874 0.26076 0.26794 0.27349 0.27806 0.28007 0.28841 0.28915 0.29152 0.29696 0.30198 0.30863 0.31623 0.32460 0.32915 0.33107 0.34032 0.34266 0.34625 0.35130 0.35366 0.35679 0.35959 0.36121 0.36516 0.36653 0.37247 0.37386 0.37859 0.38071 0.38204 0.38539 0.38605 0.39131 0.39331 0.39735 0.40146 0.40519 0.40922 0.41179 0.41357 0.41916 0.42193 0.42881 0.43138 0.43630 0.44324 0.44332 0.45094 0.45741 0.46265 0.46619 0.47677 0.48011 0.48890 0.49750 0.50023 0.50415 0.50996 0.51700 0.52869 0.52967 0.55180 0.55372 0.56107 0.57952 0.58308 0.58768 0.59064 0.59314 0.61033 0.61163 0.62698 0.63355 0.63690 0.64326 0.65703 0.66626 0.67651 0.68846 0.69576 0.70498 0.71146 0.73513 0.75035 0.76100 0.76907 0.78072 0.79959 0.80874 0.82448 0.82738 0.84128 0.85438 0.86658 0.89249 0.90292 0.90969 0.92788 0.93454 0.94019 0.94390 0.95001 0.97297 0.97540 0.97863 0.99391 0.99999 1.00309 1.00993 1.01538 1.03655 1.04654 1.05629 1.06663 1.08423 1.09265 1.10461 1.12226 1.12675 1.13636 1.14150 1.14498 1.14902 1.18421 1.18706 1.19816 1.21601 1.22078 1.22989 1.24326 1.24674 1.27156 1.30089 1.31884 1.35835 1.37384 1.39133 1.42792 1.44617 1.48324 1.48890 1.50161 1.74111 22.26626 22.33097 22.41256 22.48442 22.52771 22.55692 22.57416 22.57565 22.57795 22.59087 22.60301 22.62028 22.63808 22.65731 22.67243 22.68530 22.68666 22.70170 22.70216 22.71403 22.72876 22.76276 22.77257 22.79261 22.80348 22.80756 41.57960 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 O C C C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.240016 -0.775894 0.401232 0.531633 0.156324 0.367671 -0.630311 0.378760 -0.409921 -0.015074 0.346673 -0.427478 -0.427386 -0.366438 0.331105 -0.541469 0.321517 -0.420822 -0.404887 -0.238565 -0.413346 -0.257342 -0.414338 -0.247733 -0.245303 -0.818464 -0.808110 0.272972 0.220625 0.265303 0.233161 0.236495 0.232166 0.263455 0.267679 0.272816 0.242168 0.229592 0.232436 0.235802 0.233499 0.225477 0.224854 0.223377 0.235327 0.230313 0.231823 0.227832 0.230809 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 O C C C C C C C C C C C C C C C C C C C C C C C C C C -0.240016 -0.282296 0.401232 0.531633 0.156324 0.367671 -0.365007 0.378760 -0.176760 -0.015074 0.346673 -0.190984 -0.195220 -0.102982 0.331105 -0.273791 0.321517 -0.178655 -0.132071 -0.008972 -0.177544 -0.024906 -0.180839 -0.022256 -0.020449 -0.129447 -0.117647 0.00000 3.72976708e-01 7.99032303e-01 -1.36936116e+00 2.81233606e+02 -6.15760544e+01 3.25417077e+02 -1.09705837e+01 1.83097221e+01 2.46314058e+02 -6.4707 -2.6875 -0.0004 0.0004 0.0005 8.7508 12.6119 17.6174 33.1949 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 12.4188 16.9884 33.1402 45.8495 52.6449 65.7546 96.0500 98.2858 117.1226 144.5374 155.5062 166.1200 181.5151 186.4983 219.8844 229.5295 275.6370 282.5870 294.0303 302.2735 351.4464 367.0086 393.6333 396.3712 413.4044 431.7630 441.7141 450.9942 482.3819 502.0619 505.6264 514.1829 526.7917 534.3226 577.2008 597.6247 620.9548 625.2105 654.5252 675.6172 700.2233 712.6373 738.4968 740.7548 754.5497 758.6658 769.8773 783.5419 789.2221 809.5307 835.3836 851.5706 862.5823 873.5585 882.3346 894.7511 916.5922 924.2884 940.2339 950.4216 955.0516 962.6051 964.9600 976.7316 981.6315 990.2368 993.5641 994.0957 1003.8044 1023.0214 1031.2793 1045.5068 1053.5199 1094.7476 1123.8159 1124.7965 1152.9597 1156.5883 1169.7003 1174.3024 1178.0856 1186.1873 1189.6432 1205.8959 1235.0108 1238.5215 1261.9356 1273.5542 1276.7343 1286.8089 1301.0017 1311.6706 1362.0051 1372.5527 1374.3736 1392.4045 1397.1519 1406.7387 1410.2742 1425.5448 1428.8793 1434.8035 1459.9175 1464.9512 1466.5120 1468.5963 1474.6521 1475.2410 1477.2826 1496.0748 1515.3015 1536.0632 1576.0079 1581.8547 1584.0943 1601.1343 1606.4977 1616.5767 1641.4015 2969.8495 2971.6715 2995.2753 3041.1635 3045.5103 3075.9846 3085.8871 3088.3352 3112.9724 3117.0935 3118.4201 3124.1060 3125.1780 3130.2428 3131.3655 3138.2252 3138.4273 3140.3915 3143.9866 3159.5245 3159.6937 3162.7842 5.2429 4.5147 3.5098 5.4785 4.3178 4.5341 1.6866 1.7694 5.8490 3.8728 1.1021 5.7731 3.7529 3.5673 5.0610 3.8158 3.9265 3.8576 2.8725 4.2648 6.6590 3.8809 3.4010 3.4322 2.3840 3.4059 2.8842 4.4596 2.5307 4.5438 3.6960 6.1674 4.2483 4.2732 4.1922 4.5451 6.1746 6.0784 3.6403 4.4761 4.2788 3.1674 3.1820 3.2837 1.2861 4.5572 2.6707 2.2046 2.5995 2.4986 1.5081 1.6587 3.1731 1.6238 3.3548 1.6437 1.3975 1.7104 2.0511 3.0910 2.0907 1.6546 1.4552 1.4033 1.3771 1.3456 1.5848 1.3576 1.6294 2.2637 1.4672 2.3794 1.6582 2.3114 1.8393 1.7419 1.6877 1.4259 1.1488 1.0940 1.2581 1.3124 2.1487 2.2760 2.2648 2.2348 1.7209 2.0329 1.7884 1.4055 2.1038 1.5497 1.7025 5.4631 5.6782 1.2847 2.5174 1.3890 5.2048 3.7040 2.3542 2.7244 1.0495 2.1334 1.1699 1.4015 1.0629 1.9397 1.2154 2.4003 3.4635 7.7163 6.4668 7.1852 7.2193 6.0526 5.6890 6.2246 6.7749 1.0376 1.0384 1.0653 1.0967 1.0967 1.0956 1.0985 1.0978 1.0863 1.0856 1.0870 1.0885 1.0890 1.0921 1.0879 1.0911 1.0970 1.0951 1.0936 1.1001 1.0956 1.1007 0.0005 0.0008 0.0023 0.0068 0.0071 0.0116 0.0092 0.0101 0.0473 0.0477 0.0157 0.0939 0.0729 0.0731 0.1442 0.1184 0.1758 0.1815 0.1463 0.2296 0.4846 0.3080 0.3105 0.3177 0.2401 0.3741 0.3316 0.5344 0.3470 0.6748 0.5567 0.9607 0.6946 0.7188 0.8229 0.9564 1.4027 1.3999 0.9188 1.2038 1.2361 0.9478 1.0225 1.0616 0.4314 1.5454 0.9326 0.7975 0.9540 0.9648 0.6201 0.7087 1.3910 0.7301 1.5388 0.7753 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